USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ -174:sc= 1.05 (180deg=-0.0161) USER MOD Set 1.2: A 22 THR OG1 : rot -120:sc= 0.717 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.291 (180deg=-0.956) USER MOD Single : A 2 ASN : amide:sc= -0.0348 K(o=-0.035,f=-0.93) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00618 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 15:sc= 0.579 USER MOD Single : A 35 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.55) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00668) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.962 0.623 -4.192 1.00 0.00 N ATOM 2 CA MET A 1 -7.718 -0.825 -3.955 1.00 0.00 C ATOM 3 C MET A 1 -6.387 -1.054 -3.243 1.00 0.00 C ATOM 4 O MET A 1 -5.331 -0.647 -3.732 1.00 0.00 O ATOM 5 CB MET A 1 -7.731 -1.554 -5.303 1.00 0.00 C ATOM 6 CG MET A 1 -7.992 -3.049 -5.187 1.00 0.00 C ATOM 7 SD MET A 1 -9.602 -3.425 -4.466 1.00 0.00 S ATOM 8 CE MET A 1 -10.684 -2.439 -5.499 1.00 0.00 C ATOM 0 H1 MET A 1 -8.916 0.755 -4.584 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.883 1.140 -3.293 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.258 0.988 -4.865 1.00 0.00 H new ATOM 0 HA MET A 1 -8.505 -1.217 -3.311 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.496 -1.109 -5.940 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.773 -1.399 -5.799 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.928 -3.502 -6.176 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.211 -3.503 -4.577 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.680 -2.883 -5.511 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.743 -1.426 -5.101 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.289 -2.408 -6.514 1.00 0.00 H new ATOM 20 N ASN A 2 -6.448 -1.705 -2.084 1.00 0.00 N ATOM 21 CA ASN A 2 -5.256 -1.995 -1.301 1.00 0.00 C ATOM 22 C ASN A 2 -4.653 -3.336 -1.711 1.00 0.00 C ATOM 23 O ASN A 2 -5.368 -4.251 -2.126 1.00 0.00 O ATOM 24 CB ASN A 2 -5.592 -2.006 0.195 1.00 0.00 C ATOM 25 CG ASN A 2 -6.024 -0.644 0.708 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.999 -0.065 0.224 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.303 -0.122 1.695 1.00 0.00 N ATOM 0 H ASN A 2 -7.316 -2.042 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.522 -1.212 -1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.387 -2.728 0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.720 -2.342 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.550 0.790 2.080 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.503 -0.633 2.068 1.00 0.00 H new ATOM 34 N VAL A 3 -3.333 -3.444 -1.589 1.00 0.00 N ATOM 35 CA VAL A 3 -2.623 -4.669 -1.944 1.00 0.00 C ATOM 36 C VAL A 3 -2.270 -5.462 -0.690 1.00 0.00 C ATOM 37 O VAL A 3 -1.889 -4.887 0.332 1.00 0.00 O ATOM 38 CB VAL A 3 -1.336 -4.379 -2.751 1.00 0.00 C ATOM 39 CG1 VAL A 3 -1.676 -3.741 -4.091 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.379 -3.494 -1.962 1.00 0.00 C ATOM 0 H VAL A 3 -2.732 -2.695 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.292 -5.256 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.836 -5.329 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.757 -3.545 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.308 -4.418 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.206 -2.803 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.516 -3.307 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.866 -2.546 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.102 -3.994 -1.034 1.00 0.00 H new ATOM 50 N THR A 4 -2.406 -6.783 -0.771 1.00 0.00 N ATOM 51 CA THR A 4 -2.113 -7.649 0.367 1.00 0.00 C ATOM 52 C THR A 4 -0.606 -7.766 0.569 1.00 0.00 C ATOM 53 O THR A 4 0.107 -8.314 -0.275 1.00 0.00 O ATOM 54 CB THR A 4 -2.728 -9.038 0.160 1.00 0.00 C ATOM 55 OG1 THR A 4 -3.930 -8.954 -0.589 1.00 0.00 O ATOM 56 CG2 THR A 4 -3.045 -9.752 1.456 1.00 0.00 C ATOM 0 H THR A 4 -2.716 -7.275 -1.609 1.00 0.00 H new ATOM 0 HA THR A 4 -2.554 -7.205 1.259 1.00 0.00 H new ATOM 0 HB THR A 4 -1.970 -9.609 -0.376 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.303 -9.852 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.477 -10.728 1.237 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.130 -9.882 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.757 -9.161 2.032 1.00 0.00 H new ATOM 64 N VAL A 5 -0.130 -7.228 1.689 1.00 0.00 N ATOM 65 CA VAL A 5 1.291 -7.245 2.012 1.00 0.00 C ATOM 66 C VAL A 5 1.570 -8.037 3.288 1.00 0.00 C ATOM 67 O VAL A 5 0.847 -7.913 4.280 1.00 0.00 O ATOM 68 CB VAL A 5 1.836 -5.808 2.170 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.787 -5.073 0.841 1.00 0.00 C ATOM 70 CG2 VAL A 5 1.055 -5.044 3.230 1.00 0.00 C ATOM 0 H VAL A 5 -0.713 -6.773 2.391 1.00 0.00 H new ATOM 0 HA VAL A 5 1.800 -7.735 1.182 1.00 0.00 H new ATOM 0 HB VAL A 5 2.875 -5.872 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.174 -4.062 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.395 -5.604 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.756 -5.024 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.458 -4.035 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.005 -4.990 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.142 -5.558 4.187 1.00 0.00 H new ATOM 80 N GLU A 6 2.627 -8.846 3.254 1.00 0.00 N ATOM 81 CA GLU A 6 3.010 -9.657 4.405 1.00 0.00 C ATOM 82 C GLU A 6 3.829 -8.833 5.397 1.00 0.00 C ATOM 83 O GLU A 6 4.935 -8.391 5.082 1.00 0.00 O ATOM 84 CB GLU A 6 3.817 -10.879 3.952 1.00 0.00 C ATOM 85 CG GLU A 6 3.068 -11.787 2.991 1.00 0.00 C ATOM 86 CD GLU A 6 3.814 -13.078 2.716 1.00 0.00 C ATOM 87 OE1 GLU A 6 3.770 -13.982 3.575 1.00 0.00 O ATOM 88 OE2 GLU A 6 4.447 -13.181 1.643 1.00 0.00 O ATOM 0 H GLU A 6 3.233 -8.957 2.441 1.00 0.00 H new ATOM 0 HA GLU A 6 2.100 -9.996 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.736 -10.539 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.108 -11.456 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.086 -12.019 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.902 -11.259 2.052 1.00 0.00 H new ATOM 95 N VAL A 7 3.277 -8.630 6.591 1.00 0.00 N ATOM 96 CA VAL A 7 3.954 -7.857 7.630 1.00 0.00 C ATOM 97 C VAL A 7 4.820 -8.760 8.504 1.00 0.00 C ATOM 98 O VAL A 7 4.380 -9.827 8.934 1.00 0.00 O ATOM 99 CB VAL A 7 2.946 -7.109 8.533 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.658 -6.078 9.399 1.00 0.00 C ATOM 101 CG2 VAL A 7 1.856 -6.447 7.700 1.00 0.00 C ATOM 0 H VAL A 7 2.362 -8.990 6.863 1.00 0.00 H new ATOM 0 HA VAL A 7 4.582 -7.127 7.119 1.00 0.00 H new ATOM 0 HB VAL A 7 2.475 -7.841 9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.929 -5.564 10.026 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.392 -6.578 10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.163 -5.353 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.160 -5.928 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.307 -5.732 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.320 -7.207 7.132 1.00 0.00 H new ATOM 111 N VAL A 8 6.053 -8.328 8.766 1.00 0.00 N ATOM 112 CA VAL A 8 6.970 -9.104 9.595 1.00 0.00 C ATOM 113 C VAL A 8 6.647 -8.907 11.075 1.00 0.00 C ATOM 114 O VAL A 8 6.677 -7.782 11.582 1.00 0.00 O ATOM 115 CB VAL A 8 8.441 -8.709 9.337 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.389 -9.636 10.086 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.746 -8.720 7.846 1.00 0.00 C ATOM 0 H VAL A 8 6.437 -7.450 8.418 1.00 0.00 H new ATOM 0 HA VAL A 8 6.841 -10.153 9.327 1.00 0.00 H new ATOM 0 HB VAL A 8 8.591 -7.696 9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.419 -9.339 9.889 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.191 -9.572 11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.237 -10.661 9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.787 -8.439 7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.574 -9.720 7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.096 -8.009 7.336 1.00 0.00 H new ATOM 127 N GLY A 9 6.328 -10.005 11.759 1.00 0.00 N ATOM 128 CA GLY A 9 5.990 -9.934 13.174 1.00 0.00 C ATOM 129 C GLY A 9 4.512 -9.658 13.421 1.00 0.00 C ATOM 130 O GLY A 9 3.994 -9.956 14.499 1.00 0.00 O ATOM 0 H GLY A 9 6.297 -10.943 11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.264 -10.873 13.655 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.584 -9.150 13.645 1.00 0.00 H new ATOM 134 N GLU A 10 3.834 -9.081 12.427 1.00 0.00 N ATOM 135 CA GLU A 10 2.414 -8.755 12.535 1.00 0.00 C ATOM 136 C GLU A 10 1.601 -9.511 11.483 1.00 0.00 C ATOM 137 O GLU A 10 2.159 -10.038 10.520 1.00 0.00 O ATOM 138 CB GLU A 10 2.213 -7.247 12.372 1.00 0.00 C ATOM 139 CG GLU A 10 1.144 -6.665 13.284 1.00 0.00 C ATOM 140 CD GLU A 10 0.489 -5.433 12.690 1.00 0.00 C ATOM 141 OE1 GLU A 10 -0.454 -5.591 11.886 1.00 0.00 O ATOM 142 OE2 GLU A 10 0.925 -4.311 13.023 1.00 0.00 O ATOM 0 H GLU A 10 4.252 -8.829 11.531 1.00 0.00 H new ATOM 0 HA GLU A 10 2.063 -9.060 13.521 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.158 -6.741 12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.947 -7.036 11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.383 -7.421 13.477 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.590 -6.409 14.245 1.00 0.00 H new ATOM 149 N GLU A 11 0.279 -9.567 11.684 1.00 0.00 N ATOM 150 CA GLU A 11 -0.623 -10.262 10.761 1.00 0.00 C ATOM 151 C GLU A 11 -0.516 -9.695 9.336 1.00 0.00 C ATOM 152 O GLU A 11 0.392 -8.919 9.031 1.00 0.00 O ATOM 153 CB GLU A 11 -2.069 -10.156 11.265 1.00 0.00 C ATOM 154 CG GLU A 11 -2.877 -11.437 11.096 1.00 0.00 C ATOM 155 CD GLU A 11 -4.263 -11.181 10.533 1.00 0.00 C ATOM 156 OE1 GLU A 11 -5.043 -10.450 11.180 1.00 0.00 O ATOM 157 OE2 GLU A 11 -4.567 -11.712 9.444 1.00 0.00 O ATOM 0 H GLU A 11 -0.190 -9.137 12.481 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.327 -11.311 10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.057 -9.882 12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.571 -9.348 10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.340 -12.117 10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.967 -11.936 12.061 1.00 0.00 H new ATOM 164 N THR A 12 -1.446 -10.083 8.463 1.00 0.00 N ATOM 165 CA THR A 12 -1.431 -9.612 7.081 1.00 0.00 C ATOM 166 C THR A 12 -2.421 -8.468 6.877 1.00 0.00 C ATOM 167 O THR A 12 -3.615 -8.606 7.145 1.00 0.00 O ATOM 168 CB THR A 12 -1.755 -10.761 6.119 1.00 0.00 C ATOM 169 OG1 THR A 12 -1.106 -11.958 6.518 1.00 0.00 O ATOM 170 CG2 THR A 12 -1.340 -10.474 4.691 1.00 0.00 C ATOM 0 H THR A 12 -2.213 -10.717 8.687 1.00 0.00 H new ATOM 0 HA THR A 12 -0.429 -9.240 6.867 1.00 0.00 H new ATOM 0 HB THR A 12 -2.839 -10.871 6.158 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.330 -12.676 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.596 -11.325 4.060 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.861 -9.586 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.264 -10.304 4.652 1.00 0.00 H new ATOM 178 N SER A 13 -1.904 -7.333 6.407 1.00 0.00 N ATOM 179 CA SER A 13 -2.720 -6.144 6.164 1.00 0.00 C ATOM 180 C SER A 13 -2.600 -5.676 4.713 1.00 0.00 C ATOM 181 O SER A 13 -1.673 -6.066 3.999 1.00 0.00 O ATOM 182 CB SER A 13 -2.304 -5.015 7.111 1.00 0.00 C ATOM 183 OG SER A 13 -2.379 -5.427 8.466 1.00 0.00 O ATOM 0 H SER A 13 -0.916 -7.212 6.186 1.00 0.00 H new ATOM 0 HA SER A 13 -3.761 -6.408 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.286 -4.700 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.949 -4.150 6.955 1.00 0.00 H new ATOM 0 HG SER A 13 -2.106 -4.687 9.048 1.00 0.00 H new ATOM 189 N GLU A 14 -3.546 -4.838 4.285 1.00 0.00 N ATOM 190 CA GLU A 14 -3.551 -4.313 2.919 1.00 0.00 C ATOM 191 C GLU A 14 -3.115 -2.848 2.889 1.00 0.00 C ATOM 192 O GLU A 14 -3.502 -2.058 3.754 1.00 0.00 O ATOM 193 CB GLU A 14 -4.944 -4.451 2.297 1.00 0.00 C ATOM 194 CG GLU A 14 -5.565 -5.827 2.476 1.00 0.00 C ATOM 195 CD GLU A 14 -6.728 -6.068 1.533 1.00 0.00 C ATOM 196 OE1 GLU A 14 -7.747 -5.354 1.651 1.00 0.00 O ATOM 197 OE2 GLU A 14 -6.619 -6.970 0.677 1.00 0.00 O ATOM 0 H GLU A 14 -4.318 -4.509 4.865 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.839 -4.897 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.604 -3.705 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.879 -4.228 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.804 -6.590 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.908 -5.936 3.505 1.00 0.00 H new ATOM 204 N VAL A 15 -2.313 -2.494 1.885 1.00 0.00 N ATOM 205 CA VAL A 15 -1.824 -1.124 1.736 1.00 0.00 C ATOM 206 C VAL A 15 -2.284 -0.515 0.409 1.00 0.00 C ATOM 207 O VAL A 15 -2.362 -1.203 -0.608 1.00 0.00 O ATOM 208 CB VAL A 15 -0.282 -1.064 1.834 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.370 -1.893 0.736 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.210 0.375 1.786 1.00 0.00 C ATOM 0 H VAL A 15 -1.988 -3.137 1.163 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.247 -0.541 2.554 1.00 0.00 H new ATOM 0 HB VAL A 15 0.007 -1.491 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.454 -1.832 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.055 -2.932 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.068 -1.509 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.298 0.390 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.099 0.834 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.216 0.933 2.620 1.00 0.00 H new ATOM 220 N ALA A 16 -2.589 0.780 0.433 1.00 0.00 N ATOM 221 CA ALA A 16 -3.044 1.486 -0.759 1.00 0.00 C ATOM 222 C ALA A 16 -1.864 1.955 -1.604 1.00 0.00 C ATOM 223 O ALA A 16 -0.937 2.589 -1.095 1.00 0.00 O ATOM 224 CB ALA A 16 -3.924 2.664 -0.371 1.00 0.00 C ATOM 0 H ALA A 16 -2.529 1.362 1.268 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.632 0.793 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.256 3.182 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.792 2.304 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.356 3.352 0.255 1.00 0.00 H new ATOM 230 N VAL A 17 -1.902 1.627 -2.894 1.00 0.00 N ATOM 231 CA VAL A 17 -0.834 2.004 -3.818 1.00 0.00 C ATOM 232 C VAL A 17 -1.330 2.957 -4.905 1.00 0.00 C ATOM 233 O VAL A 17 -2.533 3.061 -5.158 1.00 0.00 O ATOM 234 CB VAL A 17 -0.204 0.760 -4.484 1.00 0.00 C ATOM 235 CG1 VAL A 17 0.515 -0.093 -3.450 1.00 0.00 C ATOM 236 CG2 VAL A 17 -1.262 -0.055 -5.220 1.00 0.00 C ATOM 0 H VAL A 17 -2.662 1.100 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.078 2.517 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 17 0.529 1.098 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.952 -0.964 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.304 0.494 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.195 -0.420 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.795 -0.926 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.025 -0.383 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.723 0.561 -5.992 1.00 0.00 H new ATOM 246 N ASP A 18 -0.385 3.652 -5.539 1.00 0.00 N ATOM 247 CA ASP A 18 -0.698 4.609 -6.600 1.00 0.00 C ATOM 248 C ASP A 18 -0.807 3.914 -7.957 1.00 0.00 C ATOM 249 O ASP A 18 -1.612 4.311 -8.802 1.00 0.00 O ATOM 250 CB ASP A 18 0.376 5.699 -6.663 1.00 0.00 C ATOM 251 CG ASP A 18 0.730 6.252 -5.294 1.00 0.00 C ATOM 252 OD1 ASP A 18 1.500 5.587 -4.565 1.00 0.00 O ATOM 253 OD2 ASP A 18 0.238 7.346 -4.949 1.00 0.00 O ATOM 0 H ASP A 18 0.611 3.569 -5.334 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.662 5.063 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.273 5.293 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.026 6.512 -7.299 1.00 0.00 H new ATOM 258 N ASP A 19 0.009 2.876 -8.161 1.00 0.00 N ATOM 259 CA ASP A 19 0.005 2.122 -9.417 1.00 0.00 C ATOM 260 C ASP A 19 -1.386 1.563 -9.723 1.00 0.00 C ATOM 261 O ASP A 19 -1.758 1.413 -10.886 1.00 0.00 O ATOM 262 CB ASP A 19 1.021 0.971 -9.358 1.00 0.00 C ATOM 263 CG ASP A 19 1.829 0.845 -10.635 1.00 0.00 C ATOM 264 OD1 ASP A 19 1.220 0.624 -11.704 1.00 0.00 O ATOM 265 OD2 ASP A 19 3.070 0.965 -10.566 1.00 0.00 O ATOM 0 H ASP A 19 0.681 2.539 -7.472 1.00 0.00 H new ATOM 0 HA ASP A 19 0.286 2.810 -10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.697 1.130 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.495 0.035 -9.171 1.00 0.00 H new ATOM 270 N ASP A 20 -2.142 1.253 -8.669 1.00 0.00 N ATOM 271 CA ASP A 20 -3.491 0.705 -8.810 1.00 0.00 C ATOM 272 C ASP A 20 -4.375 1.589 -9.693 1.00 0.00 C ATOM 273 O ASP A 20 -5.074 1.091 -10.577 1.00 0.00 O ATOM 274 CB ASP A 20 -4.139 0.544 -7.431 1.00 0.00 C ATOM 275 CG ASP A 20 -4.832 -0.795 -7.263 1.00 0.00 C ATOM 276 OD1 ASP A 20 -5.729 -1.107 -8.074 1.00 0.00 O ATOM 277 OD2 ASP A 20 -4.479 -1.529 -6.317 1.00 0.00 O ATOM 0 H ASP A 20 -1.840 1.373 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.401 -0.268 -9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.376 0.653 -6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.863 1.345 -7.278 1.00 0.00 H new ATOM 282 N GLY A 21 -4.351 2.895 -9.438 1.00 0.00 N ATOM 283 CA GLY A 21 -5.168 3.818 -10.210 1.00 0.00 C ATOM 284 C GLY A 21 -6.611 3.854 -9.732 1.00 0.00 C ATOM 285 O GLY A 21 -7.518 4.166 -10.505 1.00 0.00 O ATOM 0 H GLY A 21 -3.782 3.330 -8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.741 4.819 -10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.143 3.529 -11.261 1.00 0.00 H new ATOM 289 N THR A 22 -6.823 3.528 -8.455 1.00 0.00 N ATOM 290 CA THR A 22 -8.161 3.518 -7.870 1.00 0.00 C ATOM 291 C THR A 22 -8.457 4.834 -7.152 1.00 0.00 C ATOM 292 O THR A 22 -7.611 5.727 -7.098 1.00 0.00 O ATOM 293 CB THR A 22 -8.314 2.346 -6.891 1.00 0.00 C ATOM 294 OG1 THR A 22 -7.058 1.961 -6.352 1.00 0.00 O ATOM 295 CG2 THR A 22 -8.945 1.118 -7.518 1.00 0.00 C ATOM 0 H THR A 22 -6.081 3.267 -7.806 1.00 0.00 H new ATOM 0 HA THR A 22 -8.877 3.398 -8.683 1.00 0.00 H new ATOM 0 HB THR A 22 -8.976 2.716 -6.108 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.877 1.026 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.023 0.328 -6.771 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.940 1.368 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.326 0.774 -8.347 1.00 0.00 H new ATOM 303 N TYR A 23 -9.664 4.941 -6.595 1.00 0.00 N ATOM 304 CA TYR A 23 -10.076 6.144 -5.869 1.00 0.00 C ATOM 305 C TYR A 23 -9.128 6.439 -4.706 1.00 0.00 C ATOM 306 O TYR A 23 -8.871 7.602 -4.386 1.00 0.00 O ATOM 307 CB TYR A 23 -11.508 5.990 -5.351 1.00 0.00 C ATOM 308 CG TYR A 23 -12.565 6.199 -6.416 1.00 0.00 C ATOM 309 CD1 TYR A 23 -12.761 5.261 -7.425 1.00 0.00 C ATOM 310 CD2 TYR A 23 -13.370 7.332 -6.411 1.00 0.00 C ATOM 311 CE1 TYR A 23 -13.724 5.449 -8.397 1.00 0.00 C ATOM 312 CE2 TYR A 23 -14.335 7.526 -7.380 1.00 0.00 C ATOM 313 CZ TYR A 23 -14.511 6.581 -8.370 1.00 0.00 C ATOM 314 OH TYR A 23 -15.472 6.774 -9.337 1.00 0.00 O ATOM 0 H TYR A 23 -10.374 4.209 -6.632 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.037 6.983 -6.563 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.626 4.994 -4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.672 6.704 -4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.150 4.371 -7.448 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.239 8.073 -5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -13.860 4.712 -9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -14.949 8.414 -7.363 1.00 0.00 H new ATOM 0 HH TYR A 23 -15.938 7.620 -9.171 1.00 0.00 H new ATOM 324 N ALA A 24 -8.603 5.381 -4.079 1.00 0.00 N ATOM 325 CA ALA A 24 -7.673 5.529 -2.959 1.00 0.00 C ATOM 326 C ALA A 24 -6.432 6.320 -3.375 1.00 0.00 C ATOM 327 O ALA A 24 -5.890 7.097 -2.588 1.00 0.00 O ATOM 328 CB ALA A 24 -7.268 4.166 -2.419 1.00 0.00 C ATOM 0 H ALA A 24 -8.807 4.414 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.183 6.083 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.576 4.295 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.154 3.633 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.783 3.592 -3.208 1.00 0.00 H new ATOM 334 N ASP A 25 -5.996 6.118 -4.619 1.00 0.00 N ATOM 335 CA ASP A 25 -4.826 6.813 -5.154 1.00 0.00 C ATOM 336 C ASP A 25 -5.028 8.329 -5.110 1.00 0.00 C ATOM 337 O ASP A 25 -4.120 9.071 -4.736 1.00 0.00 O ATOM 338 CB ASP A 25 -4.554 6.347 -6.592 1.00 0.00 C ATOM 339 CG ASP A 25 -3.386 7.065 -7.249 1.00 0.00 C ATOM 340 OD1 ASP A 25 -2.427 7.433 -6.535 1.00 0.00 O ATOM 341 OD2 ASP A 25 -3.428 7.253 -8.482 1.00 0.00 O ATOM 0 H ASP A 25 -6.438 5.476 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.963 6.570 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.356 5.275 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.451 6.503 -7.192 1.00 0.00 H new ATOM 346 N LEU A 26 -6.229 8.779 -5.482 1.00 0.00 N ATOM 347 CA LEU A 26 -6.555 10.206 -5.474 1.00 0.00 C ATOM 348 C LEU A 26 -6.387 10.792 -4.074 1.00 0.00 C ATOM 349 O LEU A 26 -5.783 11.854 -3.904 1.00 0.00 O ATOM 350 CB LEU A 26 -7.992 10.426 -5.968 1.00 0.00 C ATOM 351 CG LEU A 26 -8.191 11.605 -6.930 1.00 0.00 C ATOM 352 CD1 LEU A 26 -8.013 12.932 -6.203 1.00 0.00 C ATOM 353 CD2 LEU A 26 -7.235 11.507 -8.111 1.00 0.00 C ATOM 0 H LEU A 26 -6.991 8.176 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.867 10.717 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.330 9.516 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.636 10.575 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.211 11.560 -7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.159 13.754 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.745 13.007 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.008 12.986 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.394 12.353 -8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.207 11.519 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.418 10.578 -8.651 1.00 0.00 H new ATOM 365 N VAL A 27 -6.919 10.089 -3.072 1.00 0.00 N ATOM 366 CA VAL A 27 -6.824 10.535 -1.684 1.00 0.00 C ATOM 367 C VAL A 27 -5.368 10.587 -1.224 1.00 0.00 C ATOM 368 O VAL A 27 -4.919 11.598 -0.683 1.00 0.00 O ATOM 369 CB VAL A 27 -7.623 9.621 -0.726 1.00 0.00 C ATOM 370 CG1 VAL A 27 -7.665 10.220 0.674 1.00 0.00 C ATOM 371 CG2 VAL A 27 -9.034 9.381 -1.249 1.00 0.00 C ATOM 0 H VAL A 27 -7.419 9.209 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.255 11.536 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.114 8.658 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.231 9.563 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.649 10.328 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.145 11.198 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.574 8.735 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.556 10.334 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.983 8.902 -2.227 1.00 0.00 H new ATOM 381 N ARG A 28 -4.634 9.495 -1.446 1.00 0.00 N ATOM 382 CA ARG A 28 -3.227 9.425 -1.052 1.00 0.00 C ATOM 383 C ARG A 28 -2.408 10.527 -1.728 1.00 0.00 C ATOM 384 O ARG A 28 -1.498 11.089 -1.121 1.00 0.00 O ATOM 385 CB ARG A 28 -2.639 8.053 -1.397 1.00 0.00 C ATOM 386 CG ARG A 28 -1.844 7.430 -0.260 1.00 0.00 C ATOM 387 CD ARG A 28 -0.451 7.008 -0.706 1.00 0.00 C ATOM 388 NE ARG A 28 0.594 7.784 -0.038 1.00 0.00 N ATOM 389 CZ ARG A 28 1.082 8.942 -0.497 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.651 9.448 -1.650 1.00 0.00 N ATOM 391 NH2 ARG A 28 2.007 9.592 0.200 1.00 0.00 N ATOM 0 H ARG A 28 -4.989 8.651 -1.895 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.178 9.572 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.449 7.379 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.993 8.152 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.762 8.144 0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.380 6.563 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.308 5.948 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.362 7.133 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 28 0.975 7.418 0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.057 8.952 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.029 10.332 -1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.344 9.208 1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.381 10.475 -0.148 1.00 0.00 H new ATOM 405 N ALA A 29 -2.740 10.825 -2.987 1.00 0.00 N ATOM 406 CA ALA A 29 -2.038 11.860 -3.751 1.00 0.00 C ATOM 407 C ALA A 29 -2.048 13.208 -3.026 1.00 0.00 C ATOM 408 O ALA A 29 -1.144 14.024 -3.210 1.00 0.00 O ATOM 409 CB ALA A 29 -2.658 12.002 -5.135 1.00 0.00 C ATOM 0 H ALA A 29 -3.492 10.364 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.998 11.548 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.128 12.774 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.583 11.053 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.707 12.281 -5.037 1.00 0.00 H new ATOM 415 N VAL A 30 -3.071 13.436 -2.200 1.00 0.00 N ATOM 416 CA VAL A 30 -3.193 14.682 -1.447 1.00 0.00 C ATOM 417 C VAL A 30 -2.590 14.545 -0.040 1.00 0.00 C ATOM 418 O VAL A 30 -2.957 15.284 0.874 1.00 0.00 O ATOM 419 CB VAL A 30 -4.668 15.125 -1.336 1.00 0.00 C ATOM 420 CG1 VAL A 30 -4.768 16.564 -0.851 1.00 0.00 C ATOM 421 CG2 VAL A 30 -5.376 14.954 -2.673 1.00 0.00 C ATOM 0 H VAL A 30 -3.827 12.772 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.637 15.442 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.162 14.489 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.817 16.852 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.302 16.650 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.257 17.221 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.415 15.271 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.879 15.563 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.342 13.906 -2.971 1.00 0.00 H new ATOM 431 N ASP A 31 -1.667 13.591 0.129 1.00 0.00 N ATOM 432 CA ASP A 31 -1.018 13.352 1.419 1.00 0.00 C ATOM 433 C ASP A 31 -2.038 12.935 2.477 1.00 0.00 C ATOM 434 O ASP A 31 -2.057 13.469 3.589 1.00 0.00 O ATOM 435 CB ASP A 31 -0.247 14.593 1.885 1.00 0.00 C ATOM 436 CG ASP A 31 0.988 14.240 2.693 1.00 0.00 C ATOM 437 OD1 ASP A 31 0.885 13.388 3.603 1.00 0.00 O ATOM 438 OD2 ASP A 31 2.061 14.816 2.417 1.00 0.00 O ATOM 0 H ASP A 31 -1.353 12.970 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.308 12.536 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.047 15.182 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.904 15.220 2.487 1.00 0.00 H new ATOM 443 N LEU A 32 -2.887 11.975 2.124 1.00 0.00 N ATOM 444 CA LEU A 32 -3.907 11.480 3.039 1.00 0.00 C ATOM 445 C LEU A 32 -3.825 9.959 3.163 1.00 0.00 C ATOM 446 O LEU A 32 -4.823 9.257 2.988 1.00 0.00 O ATOM 447 CB LEU A 32 -5.299 11.894 2.557 1.00 0.00 C ATOM 448 CG LEU A 32 -5.749 13.296 2.982 1.00 0.00 C ATOM 449 CD1 LEU A 32 -5.943 14.187 1.764 1.00 0.00 C ATOM 450 CD2 LEU A 32 -7.029 13.216 3.800 1.00 0.00 C ATOM 0 H LEU A 32 -2.888 11.524 1.209 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.729 11.919 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.320 11.838 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.024 11.170 2.928 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.970 13.736 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.263 15.178 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.003 14.268 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.703 13.754 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.336 14.220 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.816 12.757 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.854 12.614 4.692 1.00 0.00 H new ATOM 462 N SER A 33 -2.630 9.448 3.466 1.00 0.00 N ATOM 463 CA SER A 33 -2.438 8.009 3.612 1.00 0.00 C ATOM 464 C SER A 33 -2.673 7.579 5.061 1.00 0.00 C ATOM 465 O SER A 33 -1.995 8.050 5.975 1.00 0.00 O ATOM 466 CB SER A 33 -1.033 7.598 3.150 1.00 0.00 C ATOM 467 OG SER A 33 -0.038 7.964 4.095 1.00 0.00 O ATOM 0 H SER A 33 -1.789 10.006 3.613 1.00 0.00 H new ATOM 0 HA SER A 33 -3.167 7.503 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.004 6.520 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.814 8.068 2.191 1.00 0.00 H new ATOM 0 HG SER A 33 -0.464 8.181 4.951 1.00 0.00 H new ATOM 473 N PRO A 34 -3.647 6.674 5.292 1.00 0.00 N ATOM 474 CA PRO A 34 -3.972 6.188 6.637 1.00 0.00 C ATOM 475 C PRO A 34 -3.018 5.094 7.122 1.00 0.00 C ATOM 476 O PRO A 34 -2.734 4.996 8.317 1.00 0.00 O ATOM 477 CB PRO A 34 -5.384 5.628 6.462 1.00 0.00 C ATOM 478 CG PRO A 34 -5.435 5.164 5.046 1.00 0.00 C ATOM 479 CD PRO A 34 -4.514 6.066 4.262 1.00 0.00 C ATOM 0 HA PRO A 34 -3.890 6.975 7.387 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.573 4.808 7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.139 6.390 6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.118 4.124 4.968 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.452 5.217 4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.932 5.504 3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.071 6.824 3.711 1.00 0.00 H new ATOM 487 N HIS A 35 -2.529 4.272 6.191 1.00 0.00 N ATOM 488 CA HIS A 35 -1.612 3.184 6.531 1.00 0.00 C ATOM 489 C HIS A 35 -0.183 3.697 6.721 1.00 0.00 C ATOM 490 O HIS A 35 0.530 3.242 7.616 1.00 0.00 O ATOM 491 CB HIS A 35 -1.638 2.106 5.446 1.00 0.00 C ATOM 492 CG HIS A 35 -1.848 0.723 5.980 1.00 0.00 C ATOM 493 ND1 HIS A 35 -0.868 0.021 6.649 1.00 0.00 N ATOM 494 CD2 HIS A 35 -2.932 -0.087 5.946 1.00 0.00 C ATOM 495 CE1 HIS A 35 -1.339 -1.163 6.999 1.00 0.00 C ATOM 496 NE2 HIS A 35 -2.588 -1.253 6.587 1.00 0.00 N ATOM 0 H HIS A 35 -2.753 4.339 5.198 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.947 2.752 7.474 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.432 2.337 4.735 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.698 2.135 4.894 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.888 0.140 5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.793 -1.927 7.532 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.200 -2.058 6.722 1.00 0.00 H new ATOM 505 N GLU A 36 0.226 4.641 5.863 1.00 0.00 N ATOM 506 CA GLU A 36 1.569 5.230 5.908 1.00 0.00 C ATOM 507 C GLU A 36 2.643 4.181 6.221 1.00 0.00 C ATOM 508 O GLU A 36 3.337 4.266 7.237 1.00 0.00 O ATOM 509 CB GLU A 36 1.627 6.384 6.922 1.00 0.00 C ATOM 510 CG GLU A 36 1.141 6.019 8.318 1.00 0.00 C ATOM 511 CD GLU A 36 1.393 7.126 9.328 1.00 0.00 C ATOM 512 OE1 GLU A 36 2.538 7.239 9.814 1.00 0.00 O ATOM 513 OE2 GLU A 36 0.443 7.877 9.634 1.00 0.00 O ATOM 0 H GLU A 36 -0.364 5.016 5.120 1.00 0.00 H new ATOM 0 HA GLU A 36 1.780 5.629 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.655 6.741 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.026 7.212 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.074 5.800 8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.642 5.109 8.648 1.00 0.00 H new ATOM 520 N VAL A 37 2.775 3.195 5.332 1.00 0.00 N ATOM 521 CA VAL A 37 3.764 2.132 5.506 1.00 0.00 C ATOM 522 C VAL A 37 4.699 2.037 4.300 1.00 0.00 C ATOM 523 O VAL A 37 4.331 2.404 3.183 1.00 0.00 O ATOM 524 CB VAL A 37 3.099 0.756 5.730 1.00 0.00 C ATOM 525 CG1 VAL A 37 2.584 0.640 7.155 1.00 0.00 C ATOM 526 CG2 VAL A 37 1.976 0.521 4.728 1.00 0.00 C ATOM 0 H VAL A 37 2.211 3.111 4.487 1.00 0.00 H new ATOM 0 HA VAL A 37 4.340 2.395 6.393 1.00 0.00 H new ATOM 0 HB VAL A 37 3.853 -0.015 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.119 -0.336 7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.415 0.749 7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.849 1.423 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.526 -0.455 4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.219 1.297 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.379 0.553 3.716 1.00 0.00 H new ATOM 536 N THR A 38 5.909 1.533 4.542 1.00 0.00 N ATOM 537 CA THR A 38 6.912 1.377 3.489 1.00 0.00 C ATOM 538 C THR A 38 6.705 0.062 2.741 1.00 0.00 C ATOM 539 O THR A 38 6.448 -0.974 3.355 1.00 0.00 O ATOM 540 CB THR A 38 8.326 1.422 4.082 1.00 0.00 C ATOM 541 OG1 THR A 38 8.360 2.231 5.247 1.00 0.00 O ATOM 542 CG2 THR A 38 9.363 1.961 3.121 1.00 0.00 C ATOM 0 H THR A 38 6.219 1.224 5.463 1.00 0.00 H new ATOM 0 HA THR A 38 6.798 2.203 2.787 1.00 0.00 H new ATOM 0 HB THR A 38 8.571 0.386 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.270 2.244 5.610 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.340 1.965 3.605 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.400 1.329 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.097 2.978 2.831 1.00 0.00 H new ATOM 550 N VAL A 39 6.818 0.110 1.415 1.00 0.00 N ATOM 551 CA VAL A 39 6.637 -1.081 0.589 1.00 0.00 C ATOM 552 C VAL A 39 7.971 -1.613 0.065 1.00 0.00 C ATOM 553 O VAL A 39 8.810 -0.850 -0.417 1.00 0.00 O ATOM 554 CB VAL A 39 5.695 -0.807 -0.605 1.00 0.00 C ATOM 555 CG1 VAL A 39 4.321 -0.370 -0.114 1.00 0.00 C ATOM 556 CG2 VAL A 39 6.292 0.235 -1.545 1.00 0.00 C ATOM 0 H VAL A 39 7.033 0.958 0.891 1.00 0.00 H new ATOM 0 HA VAL A 39 6.184 -1.835 1.232 1.00 0.00 H new ATOM 0 HB VAL A 39 5.579 -1.735 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.672 -0.182 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.888 -1.157 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.418 0.542 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.609 0.409 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.448 1.167 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.246 -0.126 -1.929 1.00 0.00 H new ATOM 566 N LEU A 40 8.150 -2.929 0.155 1.00 0.00 N ATOM 567 CA LEU A 40 9.372 -3.576 -0.319 1.00 0.00 C ATOM 568 C LEU A 40 9.150 -4.207 -1.689 1.00 0.00 C ATOM 569 O LEU A 40 8.059 -4.690 -1.987 1.00 0.00 O ATOM 570 CB LEU A 40 9.829 -4.654 0.672 1.00 0.00 C ATOM 571 CG LEU A 40 10.915 -4.216 1.657 1.00 0.00 C ATOM 572 CD1 LEU A 40 10.434 -3.045 2.502 1.00 0.00 C ATOM 573 CD2 LEU A 40 11.328 -5.384 2.542 1.00 0.00 C ATOM 0 H LEU A 40 7.463 -3.570 0.553 1.00 0.00 H new ATOM 0 HA LEU A 40 10.146 -2.813 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.963 -4.994 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.197 -5.511 0.108 1.00 0.00 H new ATOM 0 HG LEU A 40 11.785 -3.888 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.221 -2.749 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.188 -2.205 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.548 -3.341 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.101 -5.058 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.463 -5.740 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.716 -6.192 1.921 1.00 0.00 H new ATOM 585 N VAL A 41 10.192 -4.220 -2.512 1.00 0.00 N ATOM 586 CA VAL A 41 10.102 -4.810 -3.837 1.00 0.00 C ATOM 587 C VAL A 41 10.748 -6.187 -3.826 1.00 0.00 C ATOM 588 O VAL A 41 11.942 -6.320 -3.552 1.00 0.00 O ATOM 589 CB VAL A 41 10.778 -3.931 -4.914 1.00 0.00 C ATOM 590 CG1 VAL A 41 10.182 -4.223 -6.283 1.00 0.00 C ATOM 591 CG2 VAL A 41 10.639 -2.452 -4.576 1.00 0.00 C ATOM 0 H VAL A 41 11.106 -3.829 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 41 9.045 -4.889 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 41 11.840 -4.174 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.667 -3.597 -7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.338 -5.273 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.113 -4.008 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.123 -1.855 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.583 -2.189 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.112 -2.253 -3.614 1.00 0.00 H new ATOM 601 N ASP A 42 9.947 -7.209 -4.106 1.00 0.00 N ATOM 602 CA ASP A 42 10.432 -8.574 -4.107 1.00 0.00 C ATOM 603 C ASP A 42 11.461 -8.767 -5.208 1.00 0.00 C ATOM 604 O ASP A 42 11.166 -8.579 -6.390 1.00 0.00 O ATOM 605 CB ASP A 42 9.259 -9.541 -4.294 1.00 0.00 C ATOM 606 CG ASP A 42 9.701 -10.965 -4.583 1.00 0.00 C ATOM 607 OD1 ASP A 42 10.393 -11.560 -3.729 1.00 0.00 O ATOM 608 OD2 ASP A 42 9.355 -11.483 -5.665 1.00 0.00 O ATOM 0 H ASP A 42 8.958 -7.112 -4.335 1.00 0.00 H new ATOM 0 HA ASP A 42 10.911 -8.782 -3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.643 -9.534 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.632 -9.188 -5.113 1.00 0.00 H new ATOM 613 N GLY A 43 12.664 -9.151 -4.792 1.00 0.00 N ATOM 614 CA GLY A 43 13.772 -9.383 -5.705 1.00 0.00 C ATOM 615 C GLY A 43 13.781 -8.486 -6.939 1.00 0.00 C ATOM 616 O GLY A 43 14.146 -8.935 -8.028 1.00 0.00 O ATOM 0 H GLY A 43 12.896 -9.309 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.707 -9.241 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.746 -10.423 -6.029 1.00 0.00 H new ATOM 759 N GLU A 53 -1.132 -3.295 -12.638 1.00 0.00 N ATOM 760 CA GLU A 53 -2.000 -2.431 -11.835 1.00 0.00 C ATOM 761 C GLU A 53 -1.663 -2.543 -10.346 1.00 0.00 C ATOM 762 O GLU A 53 -1.550 -1.533 -9.651 1.00 0.00 O ATOM 763 CB GLU A 53 -3.479 -2.779 -12.070 1.00 0.00 C ATOM 764 CG GLU A 53 -3.848 -4.214 -11.704 1.00 0.00 C ATOM 765 CD GLU A 53 -5.055 -4.733 -12.469 1.00 0.00 C ATOM 766 OE1 GLU A 53 -6.023 -3.965 -12.653 1.00 0.00 O ATOM 767 OE2 GLU A 53 -5.033 -5.915 -12.880 1.00 0.00 O ATOM 0 HA GLU A 53 -1.827 -1.402 -12.149 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.098 -2.096 -11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.718 -2.610 -13.120 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.995 -4.863 -11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.052 -4.269 -10.635 1.00 0.00 H new ATOM 774 N VAL A 54 -1.502 -3.777 -9.866 1.00 0.00 N ATOM 775 CA VAL A 54 -1.175 -4.019 -8.464 1.00 0.00 C ATOM 776 C VAL A 54 0.099 -4.849 -8.332 1.00 0.00 C ATOM 777 O VAL A 54 0.526 -5.504 -9.286 1.00 0.00 O ATOM 778 CB VAL A 54 -2.325 -4.741 -7.727 1.00 0.00 C ATOM 779 CG1 VAL A 54 -3.596 -3.909 -7.764 1.00 0.00 C ATOM 780 CG2 VAL A 54 -2.576 -6.119 -8.324 1.00 0.00 C ATOM 0 H VAL A 54 -1.593 -4.623 -10.429 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.021 -3.042 -8.005 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.026 -4.869 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.392 -4.437 -7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.417 -2.949 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.892 -3.743 -8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.390 -6.605 -7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.845 -6.017 -9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.673 -6.723 -8.238 1.00 0.00 H new ATOM 790 N ASP A 55 0.699 -4.820 -7.143 1.00 0.00 N ATOM 791 CA ASP A 55 1.920 -5.574 -6.883 1.00 0.00 C ATOM 792 C ASP A 55 1.995 -6.007 -5.420 1.00 0.00 C ATOM 793 O ASP A 55 1.420 -5.360 -4.543 1.00 0.00 O ATOM 794 CB ASP A 55 3.150 -4.734 -7.244 1.00 0.00 C ATOM 795 CG ASP A 55 4.434 -5.539 -7.205 1.00 0.00 C ATOM 796 OD1 ASP A 55 4.590 -6.452 -8.045 1.00 0.00 O ATOM 797 OD2 ASP A 55 5.285 -5.259 -6.335 1.00 0.00 O ATOM 0 H ASP A 55 0.358 -4.282 -6.346 1.00 0.00 H new ATOM 0 HA ASP A 55 1.903 -6.469 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.019 -4.313 -8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.229 -3.896 -6.552 1.00 0.00 H new ATOM 802 N ARG A 56 2.716 -7.096 -5.165 1.00 0.00 N ATOM 803 CA ARG A 56 2.874 -7.601 -3.808 1.00 0.00 C ATOM 804 C ARG A 56 4.170 -7.072 -3.206 1.00 0.00 C ATOM 805 O ARG A 56 5.246 -7.234 -3.784 1.00 0.00 O ATOM 806 CB ARG A 56 2.882 -9.131 -3.806 1.00 0.00 C ATOM 807 CG ARG A 56 2.211 -9.746 -2.587 1.00 0.00 C ATOM 808 CD ARG A 56 2.162 -11.265 -2.681 1.00 0.00 C ATOM 809 NE ARG A 56 1.362 -11.719 -3.821 1.00 0.00 N ATOM 810 CZ ARG A 56 1.851 -11.940 -5.046 1.00 0.00 C ATOM 811 NH1 ARG A 56 3.150 -11.780 -5.298 1.00 0.00 N ATOM 812 NH2 ARG A 56 1.041 -12.329 -6.023 1.00 0.00 N ATOM 0 H ARG A 56 3.198 -7.643 -5.879 1.00 0.00 H new ATOM 0 HA ARG A 56 2.033 -7.257 -3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.380 -9.489 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.913 -9.480 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.752 -9.454 -1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.198 -9.354 -2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.176 -11.655 -2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.744 -11.672 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 56 0.366 -11.877 -3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.782 -11.486 -4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.512 -11.951 -6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.046 -12.459 -5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.413 -12.498 -6.957 1.00 0.00 H new ATOM 826 N VAL A 57 4.058 -6.427 -2.049 1.00 0.00 N ATOM 827 CA VAL A 57 5.219 -5.855 -1.373 1.00 0.00 C ATOM 828 C VAL A 57 5.208 -6.175 0.124 1.00 0.00 C ATOM 829 O VAL A 57 4.195 -6.619 0.666 1.00 0.00 O ATOM 830 CB VAL A 57 5.270 -4.323 -1.568 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.479 -3.973 -3.036 1.00 0.00 C ATOM 832 CG2 VAL A 57 4.001 -3.670 -1.041 1.00 0.00 C ATOM 0 H VAL A 57 3.174 -6.287 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 57 6.105 -6.305 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 57 6.116 -3.938 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.512 -2.890 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.419 -4.403 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.656 -4.376 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.059 -2.592 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.139 -4.064 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.895 -3.886 0.022 1.00 0.00 H new ATOM 842 N LYS A 58 6.342 -5.946 0.786 1.00 0.00 N ATOM 843 CA LYS A 58 6.459 -6.205 2.222 1.00 0.00 C ATOM 844 C LYS A 58 6.424 -4.896 3.007 1.00 0.00 C ATOM 845 O LYS A 58 7.071 -3.919 2.626 1.00 0.00 O ATOM 846 CB LYS A 58 7.756 -6.964 2.538 1.00 0.00 C ATOM 847 CG LYS A 58 8.148 -7.995 1.489 1.00 0.00 C ATOM 848 CD LYS A 58 8.403 -9.361 2.111 1.00 0.00 C ATOM 849 CE LYS A 58 7.847 -10.485 1.247 1.00 0.00 C ATOM 850 NZ LYS A 58 7.341 -11.623 2.068 1.00 0.00 N ATOM 0 H LYS A 58 7.191 -5.583 0.353 1.00 0.00 H new ATOM 0 HA LYS A 58 5.611 -6.822 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.568 -6.244 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.645 -7.465 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.356 -8.076 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.044 -7.660 0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.475 -9.504 2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.946 -9.402 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.039 -10.099 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.625 -10.842 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.386 -12.500 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.928 -11.724 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.356 -11.440 2.346 1.00 0.00 H new ATOM 864 N VAL A 59 5.666 -4.880 4.105 1.00 0.00 N ATOM 865 CA VAL A 59 5.553 -3.685 4.941 1.00 0.00 C ATOM 866 C VAL A 59 6.320 -3.846 6.250 1.00 0.00 C ATOM 867 O VAL A 59 6.326 -4.923 6.851 1.00 0.00 O ATOM 868 CB VAL A 59 4.082 -3.329 5.256 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.425 -2.651 4.063 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.297 -4.567 5.675 1.00 0.00 C ATOM 0 H VAL A 59 5.123 -5.678 4.435 1.00 0.00 H new ATOM 0 HA VAL A 59 5.990 -2.870 4.364 1.00 0.00 H new ATOM 0 HB VAL A 59 4.076 -2.630 6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.390 -2.409 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.965 -1.735 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.448 -3.322 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.266 -4.288 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.314 -5.299 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.750 -5.000 6.567 1.00 0.00 H new ATOM 880 N LEU A 60 6.965 -2.766 6.686 1.00 0.00 N ATOM 881 CA LEU A 60 7.739 -2.781 7.924 1.00 0.00 C ATOM 882 C LEU A 60 7.052 -1.953 9.008 1.00 0.00 C ATOM 883 O LEU A 60 6.858 -0.746 8.851 1.00 0.00 O ATOM 884 CB LEU A 60 9.151 -2.243 7.674 1.00 0.00 C ATOM 885 CG LEU A 60 10.263 -3.293 7.718 1.00 0.00 C ATOM 886 CD1 LEU A 60 10.319 -4.069 6.410 1.00 0.00 C ATOM 887 CD2 LEU A 60 11.605 -2.635 8.010 1.00 0.00 C ATOM 0 H LEU A 60 6.967 -1.869 6.200 1.00 0.00 H new ATOM 0 HA LEU A 60 7.805 -3.813 8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.170 -1.757 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.368 -1.476 8.417 1.00 0.00 H new ATOM 0 HG LEU A 60 10.042 -3.995 8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.116 -4.811 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.366 -4.571 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.515 -3.382 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.385 -3.396 8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.833 -1.910 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.559 -2.127 8.973 1.00 0.00 H new ATOM 899 N ARG A 61 6.694 -2.608 10.111 1.00 0.00 N ATOM 900 CA ARG A 61 6.035 -1.931 11.227 1.00 0.00 C ATOM 901 C ARG A 61 6.987 -0.943 11.908 1.00 0.00 C ATOM 902 O ARG A 61 6.565 0.122 12.365 1.00 0.00 O ATOM 903 CB ARG A 61 5.523 -2.954 12.245 1.00 0.00 C ATOM 904 CG ARG A 61 4.432 -2.415 13.156 1.00 0.00 C ATOM 905 CD ARG A 61 4.949 -2.173 14.566 1.00 0.00 C ATOM 906 NE ARG A 61 4.589 -0.845 15.065 1.00 0.00 N ATOM 907 CZ ARG A 61 4.827 -0.425 16.312 1.00 0.00 C ATOM 908 NH1 ARG A 61 5.426 -1.223 17.190 1.00 0.00 N ATOM 909 NH2 ARG A 61 4.463 0.798 16.678 1.00 0.00 N ATOM 0 H ARG A 61 6.849 -3.606 10.256 1.00 0.00 H new ATOM 0 HA ARG A 61 5.187 -1.373 10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.142 -3.825 11.712 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.359 -3.295 12.856 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.042 -1.483 12.746 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.602 -3.121 13.188 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.545 -2.933 15.235 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.033 -2.282 14.578 1.00 0.00 H new ATOM 0 HE ARG A 61 4.128 -0.201 14.422 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.708 -2.164 16.915 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.604 -0.895 18.139 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.003 1.415 16.009 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.643 1.121 17.629 1.00 0.00 H new